SCHEMBL3299784

SCHEMBL3299784

COc1ccc(CC(=O)Cl)cc1.O=C(Cl)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
ALDH1A1 P00352 3/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 1/20 0.59
USP2 O75604 1/20 0.59
TP53 P04637 1/20 0.59
LTA4H P09960 1/20 0.58
ALOX5 P09917 1/20 0.57
CNR2 P34972 1/20 0.56
HTT P42858 1/20 0.56
PLAU P00749 1/20 0.55
ELANE P08246 1/20 0.55
CTBP2 P56545 1/20 0.54
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
KLK7 P49862 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL226124 0.93 HTT (0.63) NPC1ALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL4032340 0.85 NPC1 (0.66) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
Methyl Alcohol SCHEMBL3883089 0.82 CES1 (0.58) ALDH1A1SMN1; SMN2MAPTHTTCTBP2
Ethane SCHEMBL10956080 0.82 CES1 (0.58) ALDH1A1SMN1; SMN2MAPTHTTCTBP2
SCHEMBL27293995 0.82 CES1 (0.64) ALDH1A1MAPTHTTCTBP2TDP1
SCHEMBL1493 0.82 CES1 (0.64) ALDH1A1MAPTHTTCTBP2TDP1
SCHEMBL5563462 0.81 SRD5A2 (0.62) LTA4H
SCHEMBL224149 0.81 ALOX5 (0.65) ALOX5
Hydrogen Sulfide SCHEMBL27809609 0.80 CES1 (0.61) ALDH1A1MAPTHTTCTBP2TDP1
Hydrochloric Acid SCHEMBL3047868 0.80 CES1 (0.61) ALDH1A1MAPTHTTCTBP2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741337-B2 Azonafide derivatives, methods for their production and pharmaceutical compositions therefrom UNIBIOSCREEN S.A. (BE) 2010-06-22 US disclosed
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom UNIBIOSCREEN S.A. (BE) 2008-11-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom AADAC, NOTUM, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPC1 592/4885ALDH1A1 121/4885RAB9A 4116/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.